DFT study of physisorption effect of CO and CO2 on furanocoumarins for air purification
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DOI: 10.1016/j.jece.2018.07.019
Abstract: Abstract For the first time in the present work, the adsorption properties of the Furanocoumarins derivatives at the non-bonded interaction with CO and CO2 were investigated by density functional theory (DFT: B3LYP/6-311+G* and M06-2X/6-311+G* levels… read more here.
Keywords: dft; furanocoumarins derivatives; air purification; co2 ... See more keywords